3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine

C11H13Cl2F3N2O — CID 102761118

IUPAC3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
SMILESCCNc1nc(OCCCC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2F3N2O/c1-2-17-9-7(12)6-8(13)10(18-9)19-5-3-4-11(14,15)16/h6H,2-5H2,1H3,(H,17,18)
InChIKeyDGCBICDUVMZIND-UHFFFAOYSA-N
MW317.14 g/mol
LogP4.54
Rot. Bonds6

About 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine

3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine (PubChem CID 102761118) has the molecular formula C11H13Cl2F3N2O and a molecular weight of 317.14 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
PubChem CID102761118
Molecular FormulaC11H13Cl2F3N2O
Molecular Weight317.14 g/mol
Exact Mass316.04
IUPAC Name3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
SMILESCCNc1nc(OCCCC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2F3N2O/c1-2-17-9-7(12)6-8(13)10(18-9)19-5-3-4-11(14,15)16/h6H,2-5H2,1H3,(H,17,18)
InChIKeyDGCBICDUVMZIND-UHFFFAOYSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine
CID 106669249
3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 102760377
6-(2-butoxyethoxy)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760364
6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine
CID 106795649
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971
6-butoxy-3,5-dichloro-N-methylpyridin-2-amine
CID 102760529
3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine
CID 155156958
3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 102760859
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
(3,5-dichloro-6-pentoxy-2-pyridinyl)hydrazine
CID 102762767
3,5-dichloro-6-(2-cyclopropylethoxy)-N-propylpyridin-2-amine
CID 106207557
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine (CID 102761118) is 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine is CCNc1nc(OCCCC(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine?
The InChIKey is DGCBICDUVMZIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F3N2O/c1-2-17-9-7(12)6-8(13)10(18-9)19-5-3-4-11(14,15)16/h6H,2-5H2,1H3,(H,17,18).
What are the key properties of 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine?
3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine has a molecular weight of 317.14 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine is sourced from PubChem (CID 102761118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).